N-[2-(dimethylamino)-2-phenyl-ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-2-phenylethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-phenylethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S/c1-20(2)16(13-7-5-4-6-8-13)12-19-18(22)14-9-10-17(25-3)15(11-14)21(23)24/h4-11,16H,12H2,1-3H3,(H,19,22)